N-[2-(4-methoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O5S/c1-26-16-9-7-15(8-10-16)11-13-21-20(23)19-12-14-22(28(2,24)25)17-5-3-4-6-18(17)27-19/h3-10,19H,11-14H2,1-2H3,(H,21,23)